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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=281",
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"results": [
{
"id": "jvasp-46766",
"created_at": "2022-09-04T14:38:07.706079Z",
"updated_at": "2022-09-04T14:38:07.706108Z",
"structure_string": "Li4 Mn2 Si4 O12\n1.0\n-1.773814 1.582198 4.543495\n-7.532286 -0.360497 0.185043\n0.499184 -7.524367 -0.185044\nLi Mn Si O\n4 2 4 12\ndirect\n0.496756 0.795957 0.584946 Li\n0.250000 0.794785 0.794784 Li\n0.003246 0.584947 0.795958 Li\n0.750001 0.221340 0.221341 Li\n0.750001 0.960680 0.960680 Mn\n0.250000 0.184274 0.184274 Mn\n0.858210 0.777501 0.368567 Si\n0.353054 0.616120 0.198899 Si\n0.641791 0.368566 0.777501 Si\n0.146947 0.198899 0.616120 Si\n0.832807 0.217570 0.978015 O\n0.295112 0.363124 0.702477 O\n0.374194 0.400929 0.166419 O\n0.808319 0.276807 0.625440 O\n0.204889 0.702477 0.363124 O\n0.667194 0.978015 0.217570 O\n0.691682 0.625440 0.276807 O\n0.138648 0.752208 -0.003753 O\n0.878207 0.792528 0.585826 O\n0.125806 0.166419 0.400929 O\n0.621795 0.585825 0.792528 O\n0.361352 -0.003753 0.752207 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.8931244043107367,
"density_atomic": 0.08672475780453723,
"volume": 253.67611921827717,
"volume_molar": 6.943969533559119,
"formula_full": "Li4 Mn2 Si4 O12",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.6724923128526643,
"spacegroup": 5
},
{
"id": "jvasp-109247",
"created_at": "2022-09-04T14:38:17.542859Z",
"updated_at": "2022-09-04T14:38:17.542884Z",
"structure_string": "Rb2 Ga1 Ag1 I6\n1.0\n7.101363 -0.000000 4.099974\n2.367121 6.695229 4.099974\n-0.000000 -0.000000 8.199948\nRb Ga Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.754269 0.245731 0.245731 I\n0.245731 0.245731 0.754269 I\n0.245731 0.754269 0.754269 I\n0.245731 0.754269 0.245730 I\n0.754269 0.245731 0.754269 I\n0.754269 0.754269 0.245730 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Ag",
"I"
],
"chemical_system": "Ag-Ga-I-Rb",
"density": 4.727545115871974,
"density_atomic": 0.025649668268904913,
"volume": 389.8685899233636,
"volume_molar": 23.47843526421213,
"formula_full": "Rb2 Ga1 Ag1 I6",
"formula_reduced": "Rb2GaAgI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-44754",
"created_at": "2022-09-04T14:38:07.730717Z",
"updated_at": "2022-09-04T14:38:07.730747Z",
"structure_string": "Li2 Mn2 Cu2 O8\n1.0\n5.717924 0.000306 0.000259\n-0.000620 5.837567 -0.001994\n-2.858778 -2.917500 4.173627\nLi Mn Cu O\n2 2 2 8\ndirect\n0.619882 0.869897 0.739766 Li\n0.380118 0.130106 0.260236 Li\n0.000000 0.500001 0.000001 Mn\n0.500000 0.500001 0.000001 Mn\n0.000000 0.500001 0.500001 Cu\n0.000000 0.000000 0.500000 Cu\n0.208256 0.726276 0.452557 O\n0.753257 0.284789 0.006530 O\n0.753299 0.721785 0.006582 O\n0.744297 0.726262 0.452556 O\n0.255703 0.273740 0.547446 O\n0.246744 0.715213 -0.006529 O\n0.246701 0.278218 0.993420 O\n0.791744 0.273726 0.547445 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.51665921761055,
"density_atomic": 0.10051580848721306,
"volume": 139.2815738211068,
"volume_molar": 5.991237448750258,
"formula_full": "Li2 Mn2 Cu2 O8",
"formula_reduced": "LiMnCuO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.087600241625616,
"spacegroup": 74
},
{
"id": "jvasp-44730",
"created_at": "2022-09-04T14:38:12.537490Z",
"updated_at": "2022-09-04T14:38:12.537510Z",
"structure_string": "Li4 Fe5 Co3 O16\n1.0\n5.622854 0.005379 0.033894\n-2.800426 4.857887 0.000283\n-0.039746 -0.023645 9.076609\nLi Fe Co O\n4 5 3 16\ndirect\n0.663554 0.331783 0.105568 Li\n0.997469 0.998741 0.001622 Li\n0.999459 0.999748 0.503673 Li\n0.333363 0.666696 0.607571 Li\n0.668219 0.334125 0.513416 Fe\n0.343579 0.171799 0.788849 Fe\n0.332487 0.666252 0.008291 Fe\n0.170126 0.825241 0.286558 Fe\n0.170127 0.344912 0.286557 Fe\n0.659146 0.829586 0.287926 Co\n0.827697 0.657784 0.788253 Co\n0.827697 0.169934 0.788253 Co\n0.664068 0.832045 0.901750 O\n0.169949 0.834787 0.898402 O\n0.333693 0.666860 0.397866 O\n0.476815 0.519797 0.158580 O\n0.476811 0.957038 0.158578 O\n0.334731 0.167380 0.398357 O\n0.520834 0.042098 0.657459 O\n0.958772 0.479393 0.659101 O\n0.836543 0.172231 0.400179 O\n0.002123 0.001076 0.193334 O\n0.002209 0.001110 0.694543 O\n0.665431 0.332731 0.897166 O\n0.037765 0.518897 0.154244 O\n0.836544 0.664344 0.400183 O\n0.520829 0.478757 0.657463 O\n0.169946 0.335178 0.898406 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.951860011067761,
"density_atomic": 0.11286916248122107,
"volume": 248.0748451080124,
"volume_molar": 5.3355058437701715,
"formula_full": "Li4 Fe5 Co3 O16",
"formula_reduced": "Li4Fe5Co3O16",
"formula_anonymous": "A3B4C5D16",
"energy_above_hull": 3.0775637928571427,
"spacegroup": 8
},
{
"id": "jvasp-54799",
"created_at": "2022-09-04T14:38:16.443776Z",
"updated_at": "2022-09-04T14:38:16.443809Z",
"structure_string": "Er3 Mn3 Ga2 Si1\n1.0\n3.491833 -6.048032 -0.000000\n3.491833 6.048032 -0.000000\n0.000000 0.000000 3.898021\nEr Mn Ga Si\n3 3 2 1\ndirect\n-0.000000 0.592121 0.500000 Er\n0.592121 -0.000000 0.500000 Er\n0.407879 0.407879 0.500000 Er\n0.219892 -0.000000 0.000000 Mn\n-0.000000 0.219892 0.000000 Mn\n0.780107 0.780107 0.000000 Mn\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.000000 0.000000 0.500000 Si\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Er",
"Mn",
"Ga",
"Si"
],
"chemical_system": "Er-Ga-Mn-Si",
"density": 8.412736540917962,
"density_atomic": 0.0546639227448135,
"volume": 164.64241035197054,
"volume_molar": 11.01666411339164,
"formula_full": "Er3 Mn3 Ga2 Si1",
"formula_reduced": "Er3Mn3Ga2Si",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 2.4687338860153245,
"spacegroup": 189
},
{
"id": "jvasp-43381",
"created_at": "2022-09-04T14:38:12.497209Z",
"updated_at": "2022-09-04T14:38:12.497233Z",
"structure_string": "Li4 Ti6 Nb2 O16\n1.0\n5.945757 -0.000015 0.000004\n-2.972892 5.149200 -0.000007\n-0.000039 0.000068 9.769822\nLi Ti Nb O\n4 6 2 16\ndirect\n0.333348 0.666686 0.902984 Li\n0.000027 0.000020 0.994044 Li\n-0.000026 0.999994 0.494043 Li\n0.666652 0.333338 0.402984 Li\n0.169574 0.339163 0.216490 Ti\n0.169575 0.830432 0.216492 Ti\n0.830426 0.660857 0.716491 Ti\n0.339154 0.169591 0.716484 Ti\n0.660846 0.830435 0.216484 Ti\n0.830426 0.169589 0.716489 Ti\n0.333328 0.666674 0.486367 Nb\n0.666672 0.333346 0.986367 Nb\n0.325864 0.162942 0.096312 O\n0.837074 0.674160 0.096305 O\n0.666673 0.333349 0.605944 O\n0.515397 0.030809 0.837896 O\n0.515397 0.484610 0.837896 O\n0.674136 0.837078 0.596312 O\n0.484603 0.515412 0.337896 O\n0.030785 0.515402 0.337894 O\n0.162924 0.325857 0.596303 O\n0.000003 0.000013 0.812504 O\n-0.000003 0.000009 0.312504 O\n0.333327 0.666676 0.105944 O\n0.969215 0.484616 0.837895 O\n0.162927 0.837088 0.596305 O\n0.484604 0.969214 0.337896 O\n0.837077 0.162932 0.096302 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O-Ti",
"density": 4.201260275597622,
"density_atomic": 0.09361061452584578,
"volume": 299.1113790014618,
"volume_molar": 6.433181525944683,
"formula_full": "Li4 Ti6 Nb2 O16",
"formula_reduced": "Li2Ti3NbO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.1175687428571432,
"spacegroup": 186
},
{
"id": "jvasp-46460",
"created_at": "2022-09-04T14:38:07.785011Z",
"updated_at": "2022-09-04T14:38:07.785026Z",
"structure_string": "Li1 Mn3 Ni2 O8\n1.0\n-0.000000 4.036041 4.036041\n4.143601 -0.015547 4.051588\n4.143601 4.051588 -0.015547\nLi Mn Ni O\n1 3 2 8\ndirect\n0.881791 0.868209 0.868209 Li\n0.116990 0.133010 0.133010 Mn\n0.990957 0.504095 0.504095 Mn\n0.500853 0.504095 0.504095 Mn\n0.499863 0.500985 -0.000710 Ni\n0.499863 -0.000710 0.500985 Ni\n0.245059 0.261712 0.261712 O\n0.731516 0.261712 0.261712 O\n0.246996 0.742415 0.263594 O\n0.246996 0.263594 0.742415 O\n0.748486 0.724754 0.278275 O\n0.748486 0.278275 0.724754 O\n0.754483 0.728928 0.728928 O\n0.287661 0.728928 0.728928 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 5.091853138831188,
"density_atomic": 0.1029143542414185,
"volume": 136.0354452320473,
"volume_molar": 5.851604282404712,
"formula_full": "Li1 Mn3 Ni2 O8",
"formula_reduced": "LiMn3(NiO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.960818894581281,
"spacegroup": 44
},
{
"id": "jvasp-45877",
"created_at": "2022-09-04T14:38:08.376825Z",
"updated_at": "2022-09-04T14:38:08.376853Z",
"structure_string": "Li4 Mn2 O2 F4\n1.0\n0.000000 5.894619 -0.000000\n-5.370152 2.947310 -0.000000\n0.000000 -0.000000 4.096128\nLi Mn O F\n4 2 2 4\ndirect\n0.499620 0.662925 0.945271 Li\n0.837455 0.662925 0.445271 Li\n0.500380 0.337075 0.445271 Li\n0.162545 0.337075 0.945271 Li\n0.823294 0.000000 0.945296 Mn\n0.176706 0.000000 0.445296 Mn\n0.813224 0.000000 0.445309 O\n0.186776 0.000000 0.945309 O\n0.837317 0.636176 0.945327 F\n0.526508 0.636176 0.445327 F\n0.473492 0.363824 0.945327 F\n0.162684 0.363824 0.445327 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.1457129727229294,
"density_atomic": 0.09254765278811697,
"volume": 129.662931889514,
"volume_molar": 6.507070226607884,
"formula_full": "Li4 Mn2 O2 F4",
"formula_reduced": "Li2MnOF2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.0236435510632185,
"spacegroup": 63
},
{
"id": "jvasp-9896",
"created_at": "2022-09-04T14:38:18.128703Z",
"updated_at": "2022-09-04T14:38:18.128714Z",
"structure_string": "Ti1 Zn2 W1 O6\n1.0\n5.222283 0.363922 0.223446\n2.301970 4.706805 -0.037705\n2.301774 1.827745 4.653864\nTi Zn W O\n1 2 1 6\ndirect\n0.522242 0.482193 0.493569 Ti\n0.252714 0.212661 0.302180 Zn\n0.770210 0.730144 0.749681 Zn\n0.020751 -0.019299 -0.001946 W\n0.900843 0.607776 0.241877 O\n0.142932 0.355181 0.740835 O\n0.647851 0.229731 0.241861 O\n0.781271 0.102881 0.740862 O\n0.269808 0.860771 0.241872 O\n0.395226 0.741261 0.740858 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Zn",
"W",
"O"
],
"chemical_system": "O-Ti-W-Zn",
"density": 6.963397197830743,
"density_atomic": 0.09145605441233058,
"volume": 109.34213228699868,
"volume_molar": 6.584737116308467,
"formula_full": "Ti1 Zn2 W1 O6",
"formula_reduced": "TiZn2WO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.550191013333333,
"spacegroup": 146
},
{
"id": "jvasp-44767",
"created_at": "2022-09-04T14:38:07.740561Z",
"updated_at": "2022-09-04T14:38:07.740588Z",
"structure_string": "Li2 V2 Fe2 O8\n1.0\n5.839708 -0.239325 -0.090237\n0.207213 5.840936 0.090237\n-3.007133 -2.818431 4.145023\nLi V Fe O\n2 2 2 8\ndirect\n0.000000 -0.000000 0.500000 Li\n-0.000000 0.500001 0.000000 Li\n0.376928 0.626928 0.750000 V\n0.623072 0.373072 0.250000 V\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000001 0.499999 Fe\n0.253576 0.255769 0.502193 O\n0.261916 0.752920 0.508997 O\n0.743923 0.752920 0.991002 O\n0.746424 0.248617 0.002193 O\n0.253575 0.751382 -0.002193 O\n0.256077 0.247080 0.008997 O\n0.738084 0.247080 0.491002 O\n0.746424 0.744231 0.497806 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.168132996521929,
"density_atomic": 0.09886481163375929,
"volume": 141.60751200196927,
"volume_molar": 6.091288356780345,
"formula_full": "Li2 V2 Fe2 O8",
"formula_reduced": "LiVFeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.645913385714286,
"spacegroup": 74
},
{
"id": "jvasp-43682",
"created_at": "2022-09-04T14:37:58.823018Z",
"updated_at": "2022-09-04T14:37:58.823045Z",
"structure_string": "Li1 V6 O7 F5\n1.0\n4.867197 -0.038428 0.008979\n0.399542 5.545637 -0.009312\n0.340687 0.710614 7.511321\nLi V O F\n1 6 7 5\ndirect\n0.498666 0.821350 0.176929 Li\n0.011284 0.002129 0.999585 V\n0.448871 0.454523 0.986169 V\n0.558207 0.209884 0.338888 V\n0.508245 0.811409 0.674760 V\n0.981030 0.336570 0.675744 V\n0.990956 0.658517 0.342380 V\n0.833838 0.365662 0.434141 O\n0.676384 0.871751 0.424594 O\n0.669994 0.505981 0.766440 O\n0.319298 0.794613 0.916992 O\n0.331937 0.496212 0.239077 O\n0.168972 0.292876 0.902262 O\n0.672916 0.170683 0.095813 O\n0.820330 0.006245 0.759486 F\n0.176752 0.986860 0.245125 F\n0.178319 0.647543 0.583408 F\n0.324666 0.149906 0.575625 F\n0.826516 0.679312 0.097194 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 4.252728850103744,
"density_atomic": 0.09365297909629663,
"volume": 202.87662158043753,
"volume_molar": 6.430271431950781,
"formula_full": "Li1 V6 O7 F5",
"formula_reduced": "LiV6O7F5",
"formula_anonymous": "AB5C6D7",
"energy_above_hull": 2.714586374342105,
"spacegroup": 1
},
{
"id": "jvasp-30025",
"created_at": "2022-09-04T14:38:06.586897Z",
"updated_at": "2022-09-04T14:38:06.586908Z",
"structure_string": "Zn4 C8 S8 N8\n1.0\n7.044362 -0.008263 2.511121\n-0.314024 7.647360 2.062238\n0.041248 -0.046211 10.312923\nZn C S N\n4 8 8 8\ndirect\n0.685643 0.396062 0.833457 Zn\n0.781562 0.065379 0.318900 Zn\n0.218439 0.934621 0.681100 Zn\n0.314358 0.603938 0.166543 Zn\n0.563257 0.103484 0.115296 C\n0.869095 0.703887 0.887827 C\n0.010878 0.255803 0.607917 C\n0.606261 0.424654 0.305882 C\n0.130906 0.296113 0.112173 C\n0.989123 0.744198 0.392082 C\n0.436744 0.896516 0.884704 C\n0.393740 0.575347 0.694117 C\n0.176701 0.168370 0.497092 S\n0.273954 0.680221 0.594018 S\n0.476339 0.039462 0.730994 S\n0.956849 0.882268 0.899158 S\n0.823300 0.831630 0.502908 S\n0.043151 0.117733 0.100842 S\n0.726047 0.319780 0.405981 S\n0.523661 0.960538 0.269006 S\n0.590748 0.203628 0.004272 N\n0.889484 0.318515 0.685408 N\n0.481519 0.496013 0.762870 N\n0.518482 0.503987 0.237129 N\n0.198489 0.423841 0.116907 N\n0.409253 0.796372 0.995727 N\n0.110517 0.681486 0.314591 N\n0.801512 0.576159 0.883093 N\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zn",
"C",
"S",
"N"
],
"chemical_system": "C-N-S-Zn",
"density": 2.1712743900260225,
"density_atomic": 0.05040927714729204,
"volume": 555.4533130516065,
"volume_molar": 11.946492988589712,
"formula_full": "Zn4 C8 S8 N8",
"formula_reduced": "ZnC2(SN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.009186700000001,
"spacegroup": 2
}
]
}